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Merck
CN

19-3550

4-Methyl-2-pentanone

SAJ first grade, ≥99.0%

Synonym(s):

Isobutyl methyl ketone, Isopropylacetone, MIBK, Methyl isobutyl ketone

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About This Item

Linear Formula:
(CH3)2CHCH2COCH3
CAS Number:
Molecular Weight:
100.16
PubChem Substance ID:
UNSPSC Code:
12352115
Beilstein/REAXYS Number:
605399
MDL number:
Grade:
SAJ first grade
Assay:
≥99.0%
Bp:
117-118 °C
Vapor pressure:
15.7 mmHg
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Product Name

4-Methyl-2-pentanone, SAJ first grade, ≥99.0%

SMILES string

CC(C)CC(C)=O

InChI

1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3

InChI key

NTIZESTWPVYFNL-UHFFFAOYSA-N

grade

SAJ first grade

vapor density

3.5 (vs air)

vapor pressure

15.7 mmHg

assay

≥99.0%

form

liquid

autoignition temp.

840 °F

expl. lim.

1.2-8 %, 93 °F

availability

available only in Japan

dilution

(for analytical testing)

refractive index

n20/D 1.395 (lit.)

bp

117-118 °C

mp

−80 °C (lit.)

density

0.801 g/mL at 25 °C (lit.)

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Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Carc. 2 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system

supp_hazards

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

57.2 °F

flash_point_c

14 °C

Regulatory Information

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H J Shim et al.
Journal of chromatography. B, Biomedical applications, 656(2), 407-414 (1994-06-17)
A high-performance liquid chromatographic method was developed for the simultaneous determination of a new anthracycline, DA-125 (I), and its metabolites (M1, M2, M3, and M4) in rat plasma and urine using fluorescein as an internal standard. Compound I, a prodrug
Ginette Truchon et al.
Journal of occupational and environmental hygiene, 3(3), 137-143 (2006-02-09)
Compartmental and physiologically based toxicokinetic modeling coupled with Monte Carlo simulation were used to quantify the impact of biological variability (physiological, biochemical, and anatomic parameters) on the values of a series of bio-indicators of metal and organic industrial chemical exposures.
Vincent W Chen et al.
Optics express, 22(10), 12316-12326 (2014-06-13)
Cuboid-shaped organic microcavities containing a pyrromethene laser dye and supported upon a photonic crystal have been investigated as an approach to reducing the lasing threshold of the cavities. Multiphoton lithography facilitated fabrication of the cuboid cavities directly on the substrate
David Quesnel et al.
Water research, 39(4), 677-687 (2005-02-15)
An industrial wastewater that was pretreated by an aerobic thermophilic bacterial consortium (THE) was subjected to additional treatability studies by granular activated carbon (GAC) and a conventional activated sludge (CAS). The removal of dissolved organic carbon (DOC) in both systems
Mao Ting et al.
The Science of the total environment, 390(1), 97-108 (2007-11-03)
Volatile organic compounds (VOCs) in the air of Beijing City were measured at the heights of 8, 32, 140 and 280 m on the Beijing 325 m meteorological tower in autumn 2005. Concentrations of fifty-five compounds were determined by quantitative

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